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S1 4a 5.981 S10 6e 0.

032 Cluster Membershi


S2 4b 3.38 S7 6b 0.063 Case
S3 4c 0.874 S11 6f 0.069 1:S1
S4 4d 1.516 S12 6g 0.091 2:S2
S5 4f 2.592 S8 6c 0.095 3:S3
S6 6a 0.397 S9 6d 0.139 4:S4
S7 6b 0.063 S26 8b 0.153 5:S5
S8 6c 0.095 S14 6j 0.368 6:S6
S9 6d 0.139 S6 6a 0.397 7:S7
S10 6e 0.032 S27 8d 0.419 8:S8
S11 6f 0.069 S13 6i 0.639 9:S9
S12 6g 0.091 S29 10b 0.652 10:S10
S13 6i 0.639 S28 10a 0.798 11:S11
S14 6j 0.368 S3 4c 0.874 12:S12
S15 6k 0.238 S4 4d 1.516 13:S13
S16 13b 0.421 S5 4f 2.592 14:S14
S17 13c 0.296 S2 4b 3.38 15:S15
S18 13d 0.191 S1 4a 5.981 16:S16
S19 13e 0.326 S23 13i 0.056 17:S17
S20 13f 0.467 S24 13j 0.158 19:S19
S21 13g 0.319 S18 13d 0.191 20:S20
S22 13h 0.273 S15 6k 0.238 21:S21
S23 13i 0.056 S22 13h 0.273 22:S22
S24 13j 0.158 S17 13c 0.296 23:S23
S25 13k 0.395 S21 13g 0.319 24:S24
S26 8b 0.153 S19 13e 0.326 25:S25
S27 8d 0.419 S25 13k 0.395 26:S26
S28 10a 0.798 S16 13b 0.421 27:S27
S29 10b 0.652 S20 13f 0.467 28:S28
30:S30
32:S32
33:S33
34:S34
Cluster Membership
4 Clusters 3 Clusters 2 Clusters
1 1 1
1 1 1
1 1 1
1 1 1
2 2 2
1 1 1
1 1 1
1 1 1
1 1 1
1 1 1
1 1 1
1 1 1
1 1 1
3 2 2
1 1 1
1 1 1
4 3 1
4 3 1
4 3 1
4 3 1
4 3 1
4 3 1
4 3 1
4 3 1
4 3 1
4 3 1
4 3 1
1 1 1
1 1 1
1 1 1
1 1 1
Model Summary

Std. Error
Adjusted R of the
Model R R Square Square Estimate
1 .953 .908 .784 .2680142 a. Predictors: (Constant), vol, AM1_dipole, AM1_HOMO, logP(o/w), AM
b. Predictors: (Constant), vol, AM1_dipole, AM1_HOMO, logP(o/w), AM
2 .953 .907 .806 .2544265
c. Predictors: (Constant), vol, AM1_dipole, AM1_HOMO, logP(o/w), AM
3 .952 .907 .823 .2429395 d. Predictors: (Constant), vol, AM1_HOMO, logP(o/w), AM1_HF, glob,
e. Predictors: (Constant), vol, AM1_HOMO, logP(o/w), AM1_HF, glob,
4 .952 .907 .837 .2331660
f. Predictors: (Constant), vol, AM1_HOMO, logP(o/w), AM1_HF, glob, l
5 .952 .906 .848 .2251590 g. Predictors: (Constant), vol, AM1_HOMO, logP(o/w), AM1_HF, logS,
h. Predictors: (Constant), vol, AM1_HOMO, logP(o/w), logS, AM1_Eele
6 .951 .904 .856 .2191635
i. Predictors: (Constant), vol, logP(o/w), logS, AM1_Eele
7 .950 .902 .862 .2141961
8 .946 .895 .862 .2146889
9 .943 .888 .862 .2142742

ANOVAj
Sum of Mean
Model Squares df Square F Sig.
1 Regressio 6.351 12 .529 7.368 .003
n 3.072947 2.397723
Residual .646 9 .072
Total 6.998 21
2 Regressio 6.350 11 .577 8.918 .001
n 2.942957 3.030345
Residual .647 10 .065
Total 6.998 21
3 Regressio 6.348 10 .635 10.756 .000
n 2.853625 3.76939
Residual .649 11 .059
Total 6.998 21
4 Regressio 6.345 9 .705 12.968 .000
n 2.796375 4.637436
Residual .652 12 .054
Total 6.998 21
5 Regressio 6.339 8 .792 15.629 .000
n 2.766913 5.648412
Residual .659 13 .051
Total 6.998 21
6 Regressio 6.325 7 .904 18.812 .000
n 2.764199 6.805619
Residual .672 14 .048
Total 6.998 21
7 Regressio 6.309 6 1.052 22.920 .000
n 2.790465 8.213686
Residual .688 15 .046
Total 6.998 21
8 Regressio 6.260 5 1.252 27.164 .000
n 2.852409 9.523225
Residual .737 16 .046
Total 6.998 21
9 Regressio 6.217 4 1.554 33.852 .000
n 2.964708 11.41839
Residual .781 17 .046
Total 6.998 21
_dipole, AM1_HOMO, logP(o/w), AM1_E, AM1_HF, glob, AM1_LUMO, logS, ASA_H, AM1_Eele, mr
_dipole, AM1_HOMO, logP(o/w), AM1_HF, glob, AM1_LUMO, logS, ASA_H, AM1_Eele, mr
_dipole, AM1_HOMO, logP(o/w), AM1_HF, glob, logS, ASA_H, AM1_Eele, mr
_HOMO, logP(o/w), AM1_HF, glob, logS, ASA_H, AM1_Eele, mr
_HOMO, logP(o/w), AM1_HF, glob, logS, AM1_Eele, mr
_HOMO, logP(o/w), AM1_HF, glob, logS, AM1_Eele
_HOMO, logP(o/w), AM1_HF, logS, AM1_Eele
_HOMO, logP(o/w), logS, AM1_Eele
o/w), logS, AM1_Eele
Model Summary
Adjusted R Std. Error of the
Model R R Square Square Estimate
1 .943 .888 .862 .2142742

Senyawa Log MIC-Af konstanta logP (o/w)


S10 -1.4948500217 2.634 0.502
S11 -1.1611509093 2.503 0.499
S12 -1.0409586077 2.375 0.481
S9 -0.8569851997 2.517 0.519
S26 -0.8153085692 2.349 0.599
S6 -0.4012094932 2.296 0.581
S27 -0.377785977 3.052 0.481
S13 -0.1944991418 2.496 0.515
S29 -0.1857524043 2.713 0.457
S28 -0.0979971086 2.138 0.548
S4 0.1806992013 2.417 0.496
S5 0.4136349972 2.300 0.527
S2 0.5289167003 2.370 0.499
S1 0.7767738024 2.508 0.515
S23 -1.251811973 2.611 0.523
S24 -0.801342913 2.498 0.513
S18 -0.7189666328 2.533 0.520
S22 -0.563837353 2.543 0.513
S17 -0.5287082889 2.452 0.493
S19 -0.4867823999 2.601 0.517
S16 -0.3757179042 2.659 0.497
S20 -0.3306831194 2.724 0.528
-0.4447419689

Coefficientsa
Standardiz
ed
Coefficient
1 Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) 2.634 .878

AM1_Eele .000 .000 .965


logP(o/w) .502 .111 .634
logS .252 .065 .610
vol .011 .007 .440

2 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s

Model B Std. Error Beta


1 (Constant) 2.503 .854

AM1_Eele .000 .000 .969


logP(o/w) .499 .112 .641
logS .259 .064 .609
vol .013 .007 .491

3 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) 2.375 .854

AM1_Eele .000 .000 1.005


logP(o/w) .481 .114 .622

logS .264 .063 .618


vol .014 .007 .550
Standardiz
4 Coefficientsa ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) 2.517 .870
AM1_Eele .000 .000 .943
logP(o/w) .519 .116 .662
logS .260 .064 .601
vol .013 .007 .474

5 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) 2.349 .733

AM1_Eele .000 .000 .819


logP(o/w) .599 .099 .794
logS .292 .056 .678
vol .010 .006 .384

6 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) 2.296 .788

AM1_Eele .000 .000 .887


logP(o/w) .581 .106 .694
logS .265 .058 .583
vol .012 .006 .434

7 Coefficientsa
Standardiz
ed
Coefficient
Unstandardized Coefficients s

Model B Std. Error Beta


1 (Constant) 3.052 .995

AM1_Eele .000 .000 .901


logP(o/w) .481 .112 .633
logS .218 .075 .495
vol .011 .007 .392

8 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) 2.496 .868

AM1_Eele .000 .000 .944


logP(o/w) .515 .111 .679

logS .262 .066 .600


vol .013 .007 .481

Standardiz
9 Coefficientsa ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) 2.713 .821
AM1_Eele .000 .000 1.010
logP(o/w) .457 .110 .602
logS .235 .063 .541
vol .014 .006 .523

10 Coefficientsa
Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) 2.138 .825

AM1_Eele .000 .000 1.020


logP(o/w) .548 .104 .720
logS .306 .065 .708
vol .016 .006 .600
ANOVAb
Sum of Mean Fhitung/Ft
Model Squares df Square F Sig. Ftabel ab
1 Regressio 6.217 4 1.554 33.852 .000 11.418
n 2.965
Residual .781 17 .046
Total 6.998 21

logP (o/w) AM1_Eele vol logS


-0.574 .000 -694334.4 0.011 276.125 0.252
-0.135 .000 -688316.7 0.013 289.875 0.259
0.071 .000 -686319.5 0.014 300.5 0.264
0.071 .000 -685058.8 0.013 298.25 0.260
1.325 .000 -693145.2 0.010 299.75 0.292
-0.368 .000 -640149.1 0.012 273 0.265
1.128 .000 -740642.9 0.011 323.25 0.218
0.885 .000 -649744.9 0.013 293.125 0.262
1.325 .000 -707595.1 0.014 305.375 0.235
1.531 .000 -653278.4 0.016 303.25 0.306
1.689 .000 -629188.8 0.014 278 0.259
0.647 .000 -579654.9 0.012 265.625 0.254
1.456 .000 -582394.6 0.013 264.5 0.258
1.662 .000 -534300.5 0.013 260.5 0.260
1.202 .000 -721034.5 0.011 305 0.246
1.641 .000 -714951 0.013 316.125 0.264
1.408 .000 -719057.5 0.013 319.5 0.276
1.408 .000 -665635.8 0.013 302.25 0.255
1.614 .000 -663618.3 0.015 313.75 0.251
1.847 .000 -712963.9 0.012 327.875 0.268
1.175 .000 -619216 0.013 288.625 0.247
2.053 .000 -710857.6 0.011 339.375 0.263

Coefficientsa
Standardiz
ed
Unstandardized Coefficient
11 Coefficients s
t Sig. Model B Std. Error Beta t
3.000 .008 1 (Constant) 2.417 .893 2.706

4.022 .001 AM1_Eele .000 .000 .979 4.412


4.507 .000 logP(o/w) .496 .122 .660 4.073
3.872 .001 logS .259 .064 .614 4.026
1.572 .136 vol .014 .007 .514 1.929

12 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s

t Sig. Model B Std. Error Beta t


2.930 .010 1 (Constant) 2.300 .855 2.690

4.547 .000 AM1_Eele .000 .000 .867 4.253


4.448 .000 logP(o/w) .527 .107 .729 4.911
4.073 .001 logS .254 .062 .605 4.079
1.944 .070 vol .012 .006 .444 1.852

13 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
2.782 .013 1 (Constant) 2.370 .912 2.599

4.720 .000 AM1_Eele .000 .000 .953 4.562


4.220 .001 logP(o/w) .499 .115 .704 4.327

4.200 .001 logS .258 .064 .634 4.005


2.149 .047 vol .013 .007 .506 1.985
Standardiz
14 Coefficientsa ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
2.891 .011 1 (Constant) 2.508 .981 2.558
4.428 .000 AM1_Eele .000 .000 .880 4.356
4.477 .000 logP(o/w) .515 .111 .756 4.646
4.041 .001 logS .260 .065 .681 4.025
1.858 .082 vol .013 .007 .496 1.921

15 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
3.204 .006 1 (Constant) 2.611 .879 2.971

4.473 .000 AM1_Eele .000 .000 .900 3.738


6.037 .000 logP(o/w) .523 .111 .723 4.728
5.231 .000 logS .246 .069 .582 3.554
1.798 .091 vol .011 .007 .422 1.445

16 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
2.916 .010 1 (Constant) 2.498 .864 2.890

4.723 .000 AM1_Eele .000 .000 .938 4.425


5.501 .000 logP(o/w) .513 .111 .671 4.623
4.561 .000 logS .264 .066 .587 3.971
2.015 .061 vol .013 .007 .480 1.919

17 Coefficientsa
Standardiz
ed
Unstandardized Coefficient
Coefficients s

t Sig. Model B Std. Error Beta t


3.067 .007 1 (Constant) 2.533 .835 3.032

4.694 .000 AM1_Eele .000 .000 .947 4.767


4.286 .001 logP(o/w) .520 .107 .684 4.861
2.911 .010 logS .276 .064 .615 4.322
1.642 .120 vol .013 .006 .485 2.074

18 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
2.876 .011 1 (Constant) 2.543 .867 2.935

4.474 .000 AM1_Eele .000 .000 .938 4.530


4.657 .000 logP(o/w) .513 .110 .671 4.649

3.985 .001 logS .255 .066 .577 3.891


1.913 .074 vol .013 .007 .468 1.905

Standardiz
19 Coefficientsa ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
3.306 .004 1 (Constant) 2.452 .829 2.956
5.048 .000 AM1_Eele .000 .000 1.003 4.857
4.145 .001 logP(o/w) .493 .108 .639 4.582
3.745 .002 logS .251 .062 .560 4.038
2.241 .040 vol .015 .007 .535 2.231

20 Coefficientsa
Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
2.592 .020 1 (Constant) 2.601 .854 3.046

5.156 .000 AM1_Eele .000 .000 .915 4.578


5.286 .000 logP(o/w) .517 .108 .661 4.777
4.701 .000 logS .268 .064 .580 4.209
2.502 .024 vol .012 .007 .433 1.887
logS IC50 y topi y-ytopi
-0.06129 0.032 -1.3210719854 -0.1737780363
-0.50288 0.069 -1.0139641414 -0.1471867678
-0.83113 0.091 -0.8193166335 -0.2216419742
-0.83113 0.139 -0.8824559977 0.025470798
-1.18259 0.153 -0.2947108593 -0.5205977099
0.06063 0.397 -0.836159484 0.4349499908
-0.68809 0.419 -0.6593638082 0.2815778311
-0.85178 0.639 -0.1657579469 -0.028741195
-1.18259 0.652 -0.5346270469 0.3488746426
-1.06067 0.798 0.2980727766 -0.3960698853
-1.43342 1.516 0.0863555107 0.0943436905
-0.34368 2.592 0.1536905417 0.2599444555
-0.86991 3.38 0.4156819082 0.1132347921
-1.68834 5.981 0.7785078547 -0.0017340523
-3.0497 0.056 -1.1078147642 -0.1439972088
-3.49129 0.158 -0.8490985528 0.0477556398
-3.37795 0.191 -0.966794628 0.2478279952
-2.92778 0.273 -0.4776875939 -0.086149759
-3.25603 0.296 -0.251403282 -0.277305007
-3.81954 0.326 -0.6844911324 0.1977087324
-2.67772 0.421 -0.208963155 -0.1667547492
-4.14779 0.467 -0.526380017 0.1956968975

Coefficientsa
21 Unstandardized Coefficients
Sig. Model B Std. Error
.016 1 (Constant) 2.659 .880

.000 AM1_Eele .000 .000


.001 logP(o/w) .497 .112
.001 logS .247 .066
.072 vol .013 .007

22 Coefficientsa

Unstandardized Coefficients

Sig. Model B Std. Error


.016 1 (Constant) 2.724 .901

.001 AM1_Eele .000 .000


.000 logP(o/w) .528 .110
.001 logS .263 .063
.083 vol .011 .007

23

Sig.
.019

.000
.001

.001
.065
24

Sig.
.021
.000
.000
.001
.073

25

Sig.
.009

.002
.000
.003
.168

26

Sig.
.011

.000
.000
.001
.073

27
Sig.
.008

.000
.000
.001
.055

28

Sig.
.010

.000
.000

.001
.075

29

Sig.
.009
.000
.000
.001
.040

30
Sig.
.008

.000
.000
.001
.077
(y-y topi)2 y rata y-yrata (y-yrata)2
0.0301988059 -0.4447419689 -1.0501080528 1.1027269225
0.0216639446 -0.4447419689 -0.7164089404 0.5132417698
0.0491251647 -0.4447419689 -0.5962166388 0.3554742804
0.0006487615 -0.4447419689 -0.4122432309 0.1699444814
0.2710219755 -0.4447419689 -0.3705666003 0.1373196053
0.1891814945 -0.4447419689 0.0435324757 0.0018950764
0.079286075 -0.4447419689 0.0669559919 0.0044831048
0.0008260563 -0.4447419689 0.2502428271 0.0626214725
0.1217135163 -0.4447419689 0.2589895646 0.0670755946
0.156871354 -0.4447419689 0.3467448602 0.1202319981
0.0089007319 -0.4447419689 0.6254411702 0.3911766574
0.06757112 -0.4447419689 0.8583769661 0.7368110159
0.0128221181 -0.4447419689 0.9736586692 0.948011204
3.00693749015997E-06 -0.4447419689 1.2215157713 1.4921007795
0.0207351961 -0.4447419689 -0.8070700041 0.6513619915
0.0022806011 -0.4447419689 -0.3566009442 0.1271642334
0.0614187152 -0.4447419689 -0.2742246639 0.0751991663
0.007421781 -0.4447419689 -0.1190953841 0.0141837105
0.0768980669 -0.4447419689 -0.08396632 0.0070503429
0.0390887429 -0.4447419689 -0.042040431 0.0017673978
0.0278071464 -0.4447419689 0.0690240647 0.0047643215
0.0382972757 -0.4447419689 0.1140588495 0.0130094211

1.2837816507 6.9976145478
Coefficientsa
Standardized Coefficients
Beta t Sig.
3.021 .008

.946 4.624 .000


.653 4.435 .000
.563 3.728 .002
.479 1.980 .065

Coefficientsa

Standardized Coefficients

Beta t Sig.
3.025 .008

.871 4.088 .001


.664 4.791 .000
.555 4.149 .001
.357 1.499 .153
q2
0.8165401021
31

32

33
Model Summary

Std. Error
Adjusted R of the
Model R R Square Square Estimate
1 .943 .888 .862 .2142742

Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
Model B Std. Error Beta t Sig.
1 (Constant) 2.505 .839 2.988 .008

logP(o/w) .515 .107 .677 4.800 .000


logS .260 .062 .600 4.169 .001
vol .013 .006 .474 1.981 .064
AM1_Eele .000 .000 .938 4.651 .000

mol constant logP logS vol AM1_Eele


S7 2.505 .515 -0.574 .260 -0.06129 .013 275.125 .000 -693120
S8 2.505 .515 -0.135 .260 -0.50288 .013 285.25 .000 -687083
S14 2.505 .515 1.324 .260 -1.74354 .013 319.625 .000 -700991
S3 2.505 .515 1.25 .260 -0.99183 .013 266.375 .000 -635151
S15 2.505 .515 1.387 .260 -3.58567 .013 321.625 .000 -720578
S21 2.505 .515 2.053 .260 -4.14779 .013 339.375 .000 -709826
S25 2.505 .515 1.847 .260 -3.81954 .013 329.25 .000 -712877

LOGIC50 pLOGIC50
-1.38649 -1.20066 LOGIC50
-1.08488 -1.02228
0
-0.98317 -0.62342
-1.6 -1.4 -1.2 -1 -0.8 -0.6 -0.4 -0.2 0
-0.63147 -0.4034 -0.2
f(x) = 0.8436875565x + 0.0099725308
-0.45084 -0.49621 R² = 0.8737294115 -0.4
-0.36124 -0.43415 -0.6 LOGIC50
-0.20856 -0.05849 Axis Title Linear (LOGIC50)
-0.8
-1
-1.2
-1.4
Axis Title

mol constant logP logS vol AM1_Eele


S11 2.505 .515 -0.574 .260 -0.06129 .013 276.125 .000 -694334
S12 2.505 .515 -0.135 .260 -0.50288 .013 289.875 .000 -688317
S13 2.505 .515 0.071 .260 -0.83113 .013 300.5 .000 -686320
S10 2.505 .515 0.071 .260 -0.83113 .013 298.25 .000 -685059
S30 2.505 .515 1.325 .260 -1.18259 .013 299.75 .000 -693145
S7 2.505 .515 -0.368 .260 0.06063 .013 273 .000 -640149
S32 2.505 .515 1.128 .260 -0.68809 .013 323.25 .000 -740643
S15 2.505 .515 0.885 .260 -0.85178 .013 293.125 .000 -649745
S34 2.505 .515 1.325 .260 -1.18259 .013 305.375 .000 -707595
S33 2.505 .515 1.531 .260 -1.06067 .013 303.25 .000 -653278
S4 2.505 .515 1.689 .260 -1.43342 .013 278 .000 -629189
S6 2.505 .515 0.647 .260 -0.34368 .013 265.625 .000 -579655
S2 2.505 .515 1.456 .260 -0.86991 .013 264.5 .000 -582395
S1 2.505 .515 1.662 .260 -1.68834 .013 260.5 .000 -534301
S26 2.505 .515 1.202 .260 -3.0497 .013 305 .000 -721035
S27 2.505 .515 1.641 .260 -3.49129 .013 316.125 .000 -714951
S21 2.505 .515 1.408 .260 -3.37795 .013 319.5 .000 -719058
S25 2.505 .515 1.408 .260 -2.92778 .013 302.25 .000 -665636
S20 2.505 .515 1.614 .260 -3.25603 .013 313.75 .000 -663618
S22 2.505 .515 1.847 .260 -3.81954 .013 327.875 .000 -712964
S19 2.505 .515 1.175 .260 -2.67772 .013 288.625 .000 -619216
S23 2.505 .515 2.053 .260 -4.14779 .013 339.375 .000 -710858

pred LOGIC50
-1.38617 -1.49485
-1.15511 -1.25181 LOGIC50
-1.03862 -1.16115 1
-0.92978 -0.71897
f(x) = 1.0000000293x
0.5 + 2.29352379636565E-09
-0.87815 -0.85699 R² = 0.8884578576
-0.8624 -1.04096 0
-0.84029 -0.80134 -1.5 -1 -0.5 0 0.5 1 LOGIC50
Axis Title -0.5 Linear (LOGIC50)
-0.73449 -0.40121
-0.64986 -0.48678 -1
-0.54631 -0.37779
-1.5
-0.48626 -0.56384
-0.46346 -0.18575 -2
-0.46138 -0.33068 Axis Title
-0.38741 -0.81531
-0.29869 -0.52871
-0.24026 -0.37572
-0.16875 -0.1945
0.111374 0.180699
0.202281 -0.098
0.207143 0.413635
0.444421 0.528917
0.77785 0.776774
LOGIC50 pLOGIC50 IC50 pred IC50 eks
-1.38649 -1.20066 0.041069 0.063 -0.18583 0.034532
-1.08488 -1.02228 0.082248 0.095 -0.0626 0.003919
-0.36124 -0.43415 0.43527 0.368 0.072911 0.005316
-0.20856 -0.05849 0.618639 0.874 -0.15007 0.022522
-0.98317 -0.62342 0.103951 0.238 -0.35975 0.129419
-0.45084 -0.49621 0.354124 0.319 0.045365 0.002058
-0.63147 -0.4034 0.233632 0.395 -0.22807 0.052014
0.24978 0.035683 0.1889
IC50 pred IC50 eks
0.041069 0.063 IC50 eks
0.082248 0.095
1
0.103951 0.238 0.9
0.233632 0.395 0.8
0.354124 0.319 0.7 f(x) = 1.1500111484x + 0.0289582289
0.43527 0.368 0.6 R² = 0.8255165902
0.5 IC50 eks
0.618639 0.874 Axis Title
0.4 Linear (IC50 eks)
0.3
0.2
0.1
0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7
Axis Title

pred LOGIC50
-1.38617 -1.49485
-1.03862 -1.16115
-0.8624 -1.04096
-0.87815 -0.85699
-0.38741 -0.81531
-0.73449 -0.40121
-0.54631 -0.37779
-0.16875 -0.1945
-0.46346 -0.18575
0.202281 -0.098
0.111374 0.180699
0.207143 0.413635
0.444421 0.528917
0.77785 0.776774
-1.15511 -1.25181
-0.84029 -0.80134
-0.92978 -0.71897
-0.48626 -0.56384
-0.29869 -0.52871
-0.64986 -0.48678
-0.24026 -0.37572
-0.46138 -0.33068

LOGIC50
Linear (LOGIC50)
2289
IC50 eks
Linear (IC50 eks)

0.7
pred LOGIC50
-1.38649 -1.20066 LOGIC50
-1.38617 -1.49485
-1.15511 -1.25181 1
-1.08488 -1.02228
-1.03862 -1.16115
f(x) = 0.9533687487x + 0.0059881392
-0.98317 -0.62342 R² = 0.877252227
-0.92978 -0.71897 0.5
-0.87815 -0.85699
-0.8624 -1.04096
-0.84029 -0.80134
-0.73449 -0.40121 0
-1.5 -1 -0.5 0 0.5
-0.64986 -0.48678
-0.63147 -0.4034
-0.54631 -0.37779 -0.4034029044 -0.4962093169
-0.48626 -0.56384 Axis Title -0.6234230429 -0.5
-0.46346 -0.18575
-0.46138 -0.33068
-0.45084 -0.49621 -1.0222763947
-1
-0.38741 -0.81531
-1.2006594505
-0.36124 -0.43415
-0.29869 -0.52871
-0.24026 -0.37572
-1.5
-0.20856 -0.05849
-0.16875 -0.1945
0.111374 0.180699
0.202281 -0.098 -2
0.207143 0.413635
0.444421 0.528917 Axis Title
0.77785 0.776774
1

0.5

0
0 0.5 1

-0.5

-1

-1.5

-2
Model Summary

Adjusted R Std. Error of the


Model R R Square Square Estimate
1 .946 .895 .862 .2146889

Senyawa Log MIC-Af konstanta AM1_HOMO


S10 -1.4948500217 -0.431 -0.282
S11 -1.1611509093 -0.775 -0.302
S12 -1.0409586077 -1.412 -0.346
S9 -0.8569851997 -0.591 -0.285
S26 -0.8153085692 2.256 -0.009
S6 -0.4012094932 -0.466 -0.255
S27 -0.377785977 -0.907 -0.381
S13 -0.1944991418 -2.554 -0.473
S29 -0.1857524043 0.686 -0.185
S28 -0.0979971086 -3.672 -0.521
S4 0.1806992013 -0.481 -0.272
S5 0.4136349972 -0.735 -0.280
S2 0.5289167003 -0.446 -0.266
S1 0.7767738024 -0.662 -0.287
S23 -1.251811973 -0.356 -0.272
S24 -0.801342913 -0.603 -0.285
S18 -0.7189666328 -0.314 -0.262
S22 -0.563837353 -0.453 -0.275
S17 -0.5287082889 -0.645 -0.285
S19 -0.4867823999 -0.347 -0.271
S16 -0.3757179042 -0.080 -0.248
S20 -0.3306831194 -0.069 -0.253
-0.4447419689

-0.4447419689
Coefficientsa
Standardiz
ed
Coefficient
1 Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -.431 3.350

AM1_Eele .000 .000 1.001


AM1_HOMO -.282 .298 -.158

logP(o/w) .535 .117 .676


logS .336 .110 .814
vol .014 .008 .552

2 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s

Model B Std. Error Beta


1 (Constant) -.775 3.346

AM1_Eele .000 .000 1.005


AM1_HOMO -.302 .298 -.161

logP(o/w) .533 .117 .683


logS .350 .109 .821
vol .016 .007 .608

3 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -1.412 3.334

AM1_Eele .000 .000 1.058


AM1_HOMO -.346 .295 -.182

logP(o/w) .513 .116 .664


logS .368 .108 .863
vol .018 .007 .698
Standardiz
4 Coefficientsa ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -.591 3.449
AM1_Eele .000 .000 .983
AM1_HOMO -.285 .306 -.148

logP(o/w) .547 .120 .698


logS .346 .112 .798
vol .016 .008 .590

5 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) 2.256 3.212

AM1_Eele .000 .000 .821


AM1_HOMO -.009 .290 -.004

logP(o/w) .600 .104 .794


logS .295 .099 .683
vol .010 .007 .388

6 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -.466 3.057

AM1_Eele .000 .000 .918


AM1_HOMO -.255 .272 -.130

logP(o/w) .609 .110 .728


logS .341 .100 .751
vol .015 .007 .526
7 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s

Model B Std. Error Beta


1 (Constant) -.907 3.214

AM1_Eele .000 .000 .947


AM1_HOMO -.381 .295 -.172

logP(o/w) .515 .113 .677


logS .319 .107 .723
vol .014 .007 .507

8 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -2.554 4.381

AM1_Eele .000 .000 .964


AM1_HOMO -.473 .402 -.208

logP(o/w) .572 .120 .755


logS .389 .126 .892
vol .016 .007 .609

Standardiz
9 Coefficientsa ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) .686 3.367
AM1_Eele .000 .000 1.022
AM1_HOMO -.185 .297 -.095

logP(o/w) .486 .121 .640


logS .293 .113 .676
vol .016 .007 .586
10 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -3.672 3.163

AM1_Eele .000 .000 1.112


AM1_HOMO -.521 .275 -.269

logP(o/w) .623 .104 .818


logS .481 .110 1.112
vol .023 .007 .844
ANOVAb
Sum of Mean
Model Squares df Square F Sig.
1 Regressio 6.260 5 1.252 27.164 .000
n
Residual .737 16 .046
Total 6.998 21

AM1_HOMO AM1_Eele vol logS logP (o/w)


-9.08965 .000 -694334.4 .014 276.125 0.336 -0.06129 0.535
-9.08736 .000 -688316.7 .016 289.875 0.350 -0.50287998 0.533
-9.11511 .000 -686319.5 .018 300.5 0.368 -0.83113003 0.513
-9.12073 .000 -685058.8 .016 298.25 0.346 -0.83113003 0.547
-8.67771 .000 -693145.2 .010 299.75 0.295 -1.18259 0.600
-9.02431 .000 -640149.1 .015 273 0.341 0.060630001 0.609
-8.52245 .000 -740642.9 .014 323.25 0.319 -0.68809003 0.515
-8.4561 .000 -649744.9 .016 293.125 0.389 -0.85178 0.572
-9.09683 .000 -707595.1 .016 305.375 0.293 -1.18259 0.486
-9.04856 .000 -653278.4 .023 303.25 0.481 -1.06067 0.623
-9.2996 .000 -629188.8 .016 278 0.341 -1.4334199 0.541
-8.99109 .000 -579654.9 .015 265.625 0.338 -0.34367999 0.560
-9.22136 .000 -582394.6 .016 264.5 0.338 -0.86991 0.538
-9.18631 .000 -534300.5 .016 260.5 0.347 -1.6883399 0.548
-9.47764 .000 -721034.5 .014 305 0.329 -3.0497 0.554
-9.45271 .000 -714951 .016 316.125 0.350 -3.4912901 0.546
-9.49426 .000 -719057.5 .016 319.5 0.354 -3.37795 0.550
-9.36223 .000 -665635.8 .015 302.25 0.339 -2.9277799 0.546
-9.3778 .000 -663618.3 .017 313.75 0.336 -3.2560301 0.526
-9.46868 .000 -712963.9 .015 327.875 0.349 -3.81954 0.549
-9.29107 .000 -619216 .015 288.625 0.325 -2.6777201 0.531
-9.49084 .000 -710857.6 .014 339.375 0.338 -4.14779 0.555

Coefficientsa
Standardiz
ed
Unstandardized Coefficient
11 Coefficients s
t Sig. Model B Std. Error Beta t
-.129 .899 1 (Constant) -.481 3.450 -.139

4.109 .001 AM1_Eele .000 .000 .995 4.435


-.948 .358 AM1_HOM -.272 .313 -.143 -.870
O
4.570 .000 logP(o/w) .541 .133 .720 4.063
3.045 .008 logS .341 .115 .810 2.970
1.812 .090 vol .016 .008 .592 2.092

12 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s

t Sig. Model B Std. Error Beta t


-.232 .820 1 (Constant) -.735 3.267 -.225

4.656 .000 AM1_Eele .000 .000 .900 4.345


-1.013 .327 AM1_HOM -.280 .291 -.151 -.963
O
4.557 .000 logP(o/w) .560 .113 .775 4.961
3.194 .006 logS .338 .107 .804 3.156
2.191 .045 vol .015 .007 .548 2.080

13 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
-.424 .678 1 (Constant) -.446 3.423 -.130

4.916 .000 AM1_Eele .000 .000 .980 4.600


-1.174 .259 AM1_HOM -.266 .311 -.147 -.854
O
4.426 .000 logP(o/w) .538 .125 .759 4.304
3.396 .004 logS .338 .115 .834 2.947
2.469 .026 vol .016 .007 .593 2.144
Standardiz
14 Coefficientsa ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
-.171 .866 1 (Constant) -.662 3.501 -.189
4.507 .000 AM1_Eele .000 .000 .905 4.428
-.931 .366 AM1_HOM -.287 .304 -.167 -.943
O
4.550 .000 logP(o/w) .548 .117 .804 4.700
3.078 .008 logS .347 .112 .908 3.086
2.071 .056 vol .016 .007 .609 2.133

15 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
.702 .493 1 (Constant) -.356 3.390 -.105

4.146 .001 AM1_Eele .000 .000 .941 3.820


-.030 .977 AM1_HOM -.272 .300 -.142 -.907
O
5.764 .000 logP(o/w) .554 .116 .766 4.760
2.969 .010 logS .329 .115 .779 2.858
1.524 .148 vol .014 .008 .537 1.679

16 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
-.153 .881 1 (Constant) -.603 3.386 -.178

4.796 .000 AM1_Eele .000 .000 .974 4.508


-.936 .364 AM1_HOM -.285 .301 -.144 -.947
O
5.526 .000 logP(o/w) .546 .117 .714 4.679
3.407 .004 logS .350 .113 .778 3.103
2.214 .043 vol .016 .007 .587 2.133
17 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s

t Sig. Model B Std. Error Beta t


-.282 .782 1 (Constant) -.314 3.288 -.095

4.949 .000 AM1_Eele .000 .000 .976 4.820


-1.293 .216 AM1_HOM -.262 .293 -.131 -.895
O
4.556 .000 logP(o/w) .550 .113 .724 4.875
2.981 .009 logS .354 .108 .788 3.279
2.027 .061 vol .016 .007 .579 2.247

18 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
-.583 .568 1 (Constant) -.453 3.395 -.134

4.608 .000 AM1_Eele .000 .000 .971 4.596


-1.176 .258 AM1_HOM -.275 .301 -.140 -.913
O
4.782 .000 logP(o/w) .546 .117 .714 4.681
3.084 .008 logS .339 .113 .766 3.006
2.245 .040 vol .015 .007 .571 2.103

Standardiz
19 Coefficientsa ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
.204 .841 1 (Constant) -.645 3.236 -.199
4.988 .000 AM1_Eele .000 .000 1.038 4.951
-.622 .543 AM1_HOM -.285 .288 -.144 -.990
O
4.001 .001 logP(o/w) .526 .113 .683 4.665
2.584 .021 logS .336 .106 .750 3.165
2.265 .039 vol .017 .007 .639 2.439
20 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
-1.161 .264 1 (Constant) -.347 3.331 -.104

5.858 .000 AM1_Eele .000 .000 .947 4.645


-1.893 .078 AM1_HOM -.271 .296 -.135 -.916
O
5.989 .000 logP(o/w) .549 .114 .702 4.806
4.361 .001 logS .349 .109 .754 3.204
3.283 .005 vol .015 .007 .530 2.088
logP (o/w) y topi y-ytopi
-0.574 -1.3210164587 -0.1738335629
-0.135 -0.9912678979 -0.1698830113
0.071 -0.765612275 -0.2753463327
0.071 -0.8448142282 -0.0121709715
1.325 -0.2977240523 -0.5175845169
-0.368 -0.8245737118 0.4233642186
1.128 -0.7505687651 0.3727827881
0.885 -0.4139012593 0.2194021175
1.325 -0.4950462738 0.3092938696
1.531 0.4580583218 -0.5560554305
1.689 0.1493040451 0.0313951562
0.647 0.155579863 0.2580551341
1.456 0.4721953964 0.0567213039
1.662 0.744125635 0.0326481674
1.202 -1.1253584087 -0.1264535643
1.641 -0.8594572292 0.0581143162
1.408 -0.9523987898 0.233432157
1.408 -0.4939990492 -0.0698383037
1.614 -0.2494339464 -0.2792743425
1.847 -0.6738674493 0.1870850493
1.175 -0.2556921174 -0.1200257867
2.053 -0.4891447835 0.1584616641

Coefficientsa
21 Unstandardized Coefficients
Sig. Model B Std. Error
.891 1 (Constant) -.080 3.507

.000 AM1_Eele .000 .000


.398 AM1_HOM -.248 .308
O
.001 logP(o/w) .531 .121
.010 logS .325 .118
.054 vol .015 .007

22 Coefficientsa

Unstandardized Coefficients

Sig. Model B Std. Error


.825 1 (Constant) -.069 3.453

.001 AM1_Eele .000 .000


.351 AM1_HOM -.253 .302
O
.000 logP(o/w) .555 .116
.007 logS .338 .110
.055 vol .014 .008

23

Sig.
.898

.000
.407

.001
.010
.049
24

Sig.
.853
.000
.360

.000
.008
.050

25

Sig.
.918

.002
.379

.000
.012
.114

26

Sig.
.861

.000
.358

.000
.007
.050
27

Sig.
.925

.000
.385

.000
.005
.040

28

Sig.
.896

.000
.376

.000
.009
.053

29

Sig.
.845
.000
.338

.000
.006
.028
30

Sig.
.919

.000
.374

.000
.006
.054
(y-y topi)2 y rata y-yrata (y-yrata)2
0.0302181076 -0.4447419689 -1.0501080528 1.1027269225
0.0288602375 -0.4447419689 -0.7164089404 0.5132417698
0.0758156029 -0.4447419689 -0.5962166388 0.3554742804
0.0001481325 -0.4447419689 -0.4122432309 0.1699444814
0.2678937321 -0.4447419689 -0.3705666003 0.1373196053
0.1792372616 -0.4447419689 0.0435324757 0.0018950764
0.1389670071 -0.4447419689 0.0669559919 0.0044831048
0.0481372892 -0.4447419689 0.2502428271 0.0626214725
0.0956626978 -0.4447419689 0.2589895646 0.0670755946
0.3091976418 -0.4447419689 0.3467448602 0.1202319981
0.0009856558 -0.4447419689 0.6254411702 0.3911766574
0.0665924523 -0.4447419689 0.8583769661 0.7368110159
0.0032173063 -0.4447419689 0.9736586692 0.948011204
0.0010659028 -0.4447419689 1.2215157713 1.4921007795
0.0159905039 -0.4447419689 -0.8070700041 0.6513619915
0.0033772737 -0.4447419689 -0.3566009442 0.1271642334
0.0544905719 -0.4447419689 -0.2742246639 0.0751991663
0.0048773887 -0.4447419689 -0.1190953841 0.0141837105
0.0779941584 -0.4447419689 -0.08396632 0.0070503429
0.0350008157 -0.4447419689 -0.042040431 0.0017673978
0.0144061895 -0.4447419689 0.0690240647 0.0047643215
0.025110099 -0.4447419689 0.1140588495 0.0130094211
1.4772460281 6.9976145478

Coefficientsa
Standardized Coefficients
Beta t Sig.
-.023 .982

.967 4.639 .000


-.127 -.807 .432

.698 4.390 .001


.741 2.764 .014
.569 2.116 .051

Coefficientsa

Standardized Coefficients

Beta t Sig.
-.020 .984

.911 4.136 .001


-.126 -.839 .415

.698 4.790 .000


.714 3.068 .008
.455 1.702 .109
q2
0.7888929123

Coefficientsa 8d
Standardiz
ed
Unstandardized Coefficient
31 Coefficients s
Model B Std. Error Beta t Sig.
1 (Constant) -4.016 3.887 -1.033 .312

AM1_E .000 .000 .533 3.079 .005


AM1_HOM -.877 .394 -.469 -2.224 .036
O
ASA_H -.019 .010 -1.135 -2.001 .057
glob -3.635 1.815 -.539 -2.003 .057
logP(o/w) .592 .107 .920 5.544 .000
logS .317 .136 .752 2.320 .029
vol .035 .016 1.483 2.113 .045

32 Coefficientsa 10a

Standardiz
ed
Unstandardized Coefficient
Coefficients s

Model B Std. Error Beta t Sig.


1 (Constant) -5.887 4.174 -1.410 .171

AM1_E .000 .000 .635 3.347 .003


AM1_HOM -.973 .411 -.556 -2.371 .026
O
ASA_H -.015 .009 -.915 -1.676 .107
glob -3.457 1.764 -.522 -1.959 .062
logP(o/w) .601 .106 .937 5.674 .000
logS .389 .142 .935 2.734 .012
vol .033 .016 1.427 2.065 .050

33 Coefficientsa 10b

Standardiz
ed
Unstandardized Coefficient
Coefficients s
Model B Std. Error Beta t Sig.
1 (Constant) -3.599 3.998 -.900 .377

AM1_E .000 .000 .539 3.068 .005


AM1_HOM -.775 .395 -.442 -1.962 .061
O
ASA_H -.016 .009 -.996 -1.782 .087
glob -3.169 1.791 -.477 -1.769 .090
logP(o/w) .593 .108 .924 5.476 .000
logS .327 .138 .786 2.376 .026
vol .031 .016 1.345 1.922 .067
Model Summary ANOVAb

Std. Error
Adjusted R of the Sum of
Model R R Square Square Estimate Model Squares df
1 .946 .895 .862 .2146889 1 Regressio 6.260 5
n
Residual .737 16
Total 6.998 21

Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
Model B Std. Error Beta t Sig.
1 (Constant) -.559 3.279 -.170 .867

logP(o/w) .548 .113 .721 4.857 .000


logS .345 .108 .795 3.208 .005
vol .016 .007 .578 2.200 .043
AM1_Eele .000 .000 .971 4.739 .000
AM1_HOM -.282 .292 -.145 -.967 .348
O

mol constant logP logS vol AM1_Eele


S7 -.559 .548 -0.574 .345 -0.06129 .016 275.125 .000 -693120
S8 -.559 .548 -0.135 .345 -0.50288 .016 285.25 .000 -687083
S14 -.559 .548 1.324 .345 -1.74354 .016 319.625 .000 -700991
S3 -.559 .548 1.25 .345 -0.99183 .016 266.375 .000 -635151
S15 -.559 .548 1.387 .345 -3.58567 .016 321.625 .000 -720578
S21 -.559 .548 2.053 .345 -4.14779 .016 339.375 .000 -709826
S25 -.559 .548 1.847 .345 -3.81954 .016 329.25 .000 -712877

Pred LOGIC50
-1.38538 -1.20066
-1.11659 -0.62342 LOGIC50
-1.07731 -1.02228 0
-0.61659 -0.4034 -1.6 -1.4 -1.2 -1 -0.8 -0.6 -0.4 -0.2 0
-0.2
f(x) = 0.8188902695x + 0.0171837879
-0.50717 -0.43415 R² = 0.8432049686
-0.4
-0.44268 -0.49621
-0.17721 -0.05849 -0.6 LOGIC50
Axis Title Linear (LOGIC50)
-0.8
-1
-1.2
-1.4
Axis Title
-1.2
-1.4
Axis Title

mol constant logP logS Vol AM1_Eele


S11 -.559 .548 -0.574 .345 -0.06129 .016 276.125 .000 -694334
S12 -.559 .548 -0.135 .345 -0.50288 .016 289.875 .000 -688317
S13 -.559 .548 0.071 .345 -0.83113 .016 300.5 .000 -686320
S10 -.559 .548 0.071 .345 -0.83113 .016 298.25 .000 -685059
S30 -.559 .548 1.325 .345 -1.18259 .016 299.75 .000 -693145
S7 -.559 .548 -0.368 .345 0.06063 .016 273 .000 -640149
S32 -.559 .548 1.128 .345 -0.68809 .016 323.25 .000 -740643
S15 -.559 .548 0.885 .345 -0.85178 .016 293.125 .000 -649745
S34 -.559 .548 1.325 .345 -1.18259 .016 305.375 .000 -707595
S33 -.559 .548 1.531 .345 -1.06067 .016 303.25 .000 -653278
S4 -.559 .548 1.689 .345 -1.43342 .016 278 .000 -629189
S6 -.559 .548 0.647 .345 -0.34368 .016 265.625 .000 -579655
S2 -.559 .548 1.456 .345 -0.86991 .016 264.5 .000 -582395
S1 -.559 .548 1.662 .345 -1.68834 .016 260.5 .000 -534301
S26 -.559 .548 1.202 .345 -3.0497 .016 305 .000 -721035
S27 -.559 .548 1.641 .345 -3.49129 .016 316.125 .000 -714951
S21 -.559 .548 1.408 .345 -3.37795 .016 319.5 .000 -719058
S25 -.559 .548 1.408 .345 -2.92778 .016 302.25 .000 -665636
S20 -.559 .548 1.614 .345 -3.25603 .016 313.75 .000 -663618
S22 -.559 .548 1.847 .345 -3.81954 .016 327.875 .000 -712964
S19 -.559 .548 1.175 .345 -2.67772 .016 288.625 .000 -619216
S23 -.559 .548 2.053 .345 -4.14779 .016 339.375 .000 -710858

Pred LOGIC50
-1.38613 -1.49485 LOGIC50
-1.16733 -1.25181
1
-1.02096 -1.16115
-0.91659 -0.71897 f(x) = 1.0000001024x
0.5 - 1.25333911588712E-09
R² = 0.8946124985
-0.84865 -0.80134
0
-0.84714 -0.85699 -1.5 -1 -0.5 0 0.5 1 LOGIC50
-0.8271 -1.04096 Axis Title -0.5 Linear (LOGIC50)
-0.72466 -0.40121
-1
-0.64073 -0.48678
-0.58675 -0.37779 -1.5
-0.50132 -0.56384 -2
-0.46807 -0.81531
Axis Title
-0.43369 -0.33068
-0.41529 -0.18575
-0.30141 -0.1945
-0.29708 -0.52871
-0.2834 -0.37572
0.159304 0.180699
0.208658 0.413635
0.267929 -0.098
0.489236 0.528917
0.756846 0.776774
ANOVAb

Mean
Square F Sig.
1.252 27.164 .000

.046

AM1_HOMO Pred LOGIC50


-.282 -9.10185 -1.38538 -1.20066 -0.18472 0.034123
-.282 -9.09618 -1.07731 -1.02228 -0.05503 0.003028
-.282 -8.42618 -0.50717 -0.43415 -0.07302 0.005332
-.282 -9.28432 -0.17721 -0.05849 -0.11872 0.014095
-.282 -9.02018 -1.11659 -0.62342 -0.49316 0.243209
-.282 -9.42031 -0.44268 -0.49621 0.053528 0.002865
-.282 -9.47521 -0.61659 -0.4034 -0.21319 0.045451
0.348103
0.049729
0.223

OGIC50
inear (LOGIC50)
AM1_HOMO Pred LOGIC50
-.282 -9.08965 -1.38613 -1.49485
-.282 -9.08736 -1.02096 -1.16115
-.282 -9.11511 -0.8271 -1.04096
-.282 -9.12073 -0.84714 -0.85699
-.282 -8.67771 -0.46807 -0.81531
-.282 -9.02431 -0.72466 -0.40121
-.282 -8.52245 -0.58675 -0.37779
-.282 -8.4561 -0.30141 -0.1945
-.282 -9.09683 -0.41529 -0.18575
-.282 -9.04856 0.267929 -0.098
-.282 -9.2996 0.159304 0.180699
-.282 -8.99109 0.208658 0.413635
-.282 -9.22136 0.489236 0.528917
-.282 -9.18631 0.756846 0.776774
-.282 -9.47764 -1.16733 -1.25181
-.282 -9.45271 -0.84865 -0.80134
-.282 -9.49426 -0.91659 -0.71897
-.282 -9.36223 -0.50132 -0.56384
-.282 -9.3778 -0.29708 -0.52871
-.282 -9.46868 -0.64073 -0.48678
-.282 -9.29107 -0.2834 -0.37572
-.282 -9.49084 -0.43369 -0.33068

LOGIC50
Linear (LOGIC50)
Pred LOGIC50
-1.38613 -1.49485 LOGIC50
-1.38538 -1.20066
1
-1.16733 -1.25181
-1.11659 -0.62342 f(x) = 0.9411556186x
0.5 + 0.0067359795
R² = 0.8735094615
-1.07731 -1.02228
0
-1.02096 -1.16115 -1.5 -1 -0.5 0 0.5 1 LOGIC50
-0.91659 -0.71897 Axis Title -0.5 Linear (LOGIC50)
-0.84865 -0.80134 -1
-0.84714 -0.85699
-0.8271 -1.04096 -1.5
-0.72466 -0.40121 -2
-0.64073 -0.48678
Axis Title
-0.61659 -0.4034
-0.58675 -0.37779
-0.50717 -0.43415
-0.50132 -0.56384
-0.46807 -0.81531
-0.44268 -0.49621
-0.43369 -0.33068
-0.41529 -0.18575
-0.30141 -0.1945
-0.29708 -0.52871
-0.2834 -0.37572
-0.17721 -0.05849
0.159304 0.180699
0.208658 0.413635
0.267929 -0.098
0.489236 0.528917
0.756846 0.776774
LOGIC50
Linear (LOGIC50)
Model Summary
Adjusted R Std. Error of the
Model R R Square Square Estimate
1 .950 .902 .862 .2141961

Senyawa Log MIC-Af konstanta AM1_HF


S10 -1.4948500217 -3.982 0.003
S11 -1.1611509093 -4.465 0.003
S12 -1.0409586077 -4.403 0.002
S9 -0.8569851997 -4.322 0.003
S26 -0.8153085692 4.059 -0.001
S6 -0.4012094932 -3.274 0.002
S27 -0.377785977 -3.744 0.002
S13 -0.1944991418 -4.693 0.002
S29 -0.1857524043 -3.738 0.003
S28 -0.0979971086 -8.940 0.004
S4 0.1806992013 -4.344 0.003
S5 0.4136349972 -4.000 0.002
S2 0.5289167003 -4.496 0.003
S1 0.7767738024 -8.602 0.005
S23 -1.251811973 -4.330 0.003
S24 -0.801342913 -4.285 0.003
S18 -0.7189666328 -4.339 0.003
S22 -0.563837353 -4.706 0.003
S17 -0.5287082889 -4.880 0.003
S19 -0.4867823999 -4.147 0.003
S16 -0.3757179042 -3.891 0.003
S20 -0.3306831194 -4.251 0.003
-0.4447419689

-0.4447419689
Coefficientsa
Standardiz
ed
Coefficient
1 Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -3.982 5.054

AM1_Eele .000 .000 .832


AM1_HF .003 .003 .367

AM1_HOMO -.603 .453 -.338

logP(o/w) .637 .160 .805


logS .585 .286 1.416
vol .014 .008 .541

2 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s

Model B Std. Error Beta


1 (Constant) -4.465 4.979

AM1_Eele .000 .000 .826


AM1_HF .003 .003 .378

AM1_HOMO -.638 .449 -.340

logP(o/w) .637 .157 .817


logS .608 .281 1.428
vol .015 .007 .584

3 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -4.403 4.899

AM1_Eele .000 .000 .900


AM1_HF .002 .003 .316

AM1_HOMO -.620 .442 -.327

logP(o/w) .606 .161 .784


logS .583 .278 1.365
vol .017 .008 .664

Standardiz
4 Coefficientsa ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -4.322 5.053
AM1_Eele .000 .000 .793
AM1_HF .003 .003 .386
AM1_HOMO -.626 .456 -.325

logP(o/w) .661 .165 .843


logS .612 .287 1.414
vol .015 .008 .552

5 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) 4.059 6.415

AM1_Eele .000 .000 .868


AM1_HF -.001 .003 -.145
AM1_HOMO .158 .589 .076
logP(o/w) .566 .149 .750
logS .187 .343 .434
vol .010 .007 .372

6 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -3.274 4.659

AM1_Eele .000 .000 .792


AM1_HF .002 .003 .276
AM1_HOMO -.512 .422 -.261

logP(o/w) .684 .145 .817


logS .538 .264 1.182
vol .014 .007 .512
7 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s

Model B Std. Error Beta


1 (Constant) -3.744 4.872

AM1_Eele .000 .000 .816


AM1_HF .002 .003 .287
AM1_HOMO -.630 .437 -.285

logP(o/w) .601 .158 .790


logS .524 .284 1.189
vol .014 .007 .497

8 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -4.693 5.223

AM1_Eele .000 .000 .817


AM1_HF .002 .003 .327

AM1_HOMO -.663 .475 -.291

logP(o/w) .650 .157 .858


logS .592 .290 1.356
vol .015 .007 .573

Standardiz
9 Coefficientsa ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -3.738 4.712
AM1_Eele .000 .000 .818
AM1_HF .003 .003 .454
AM1_HOMO -.590 .424 -.304

logP(o/w) .605 .150 .798


logS .609 .265 1.404
vol .015 .007 .559

10 Coefficientsa

Standardiz
ed
Coefficient
Unstandardized Coefficients s
Model B Std. Error Beta
1 (Constant) -8.940 4.424

AM1_Eele .000 .000 .891


AM1_HF .004 .002 .502
AM1_HOMO -.997 .393 -.515

logP(o/w) .770 .134 1.011


logS .842 .246 1.946
vol .022 .007 .839
ANOVAb
Sum of Mean
Model Squares df Square F Sig.
1 Regressio 6.309 6 1.052 22.920 .000
n
Residual .688 15 .046
Total 6.998 21

AM1_HF AM1_Eele logS logP(o/w) vol AM1_HOMO


-163.129 .000 -694334.4 .585 -0.06129 0.637 -0.574 0.014 276.125 -0.603
-124.876 .000 -688316.7 .608 -0.50288 0.637 -0.13500001 0.015 289.875 -0.638
-112.554 .000 -686319.5 .583 -0.83113 0.606 0.071000002 0.017 300.5 -0.620
-113.143 .000 -685058.8 .612 -0.83113 0.661 0.071000002 0.015 298.25 -0.626
-107.114 .000 -693145.2 .187 -1.18259 0.566 1.325 0.010 299.75 0.158
-118.907 .000 -640149.1 .538 0.06063 0.684 -0.368 0.014 273 -0.512
-100.206 .000 -740642.9 .524 -0.68809 0.601 1.128 0.014 323.25 -0.630
0.10339 .000 -649744.9 .592 -0.85178 0.650 0.88499999 0.015 293.125 -0.663
-136.713 .000 -707595.1 .609 -1.18259 0.605 1.325 0.015 305.375 -0.590
-92.622 .000 -653278.4 .842 -1.06067 0.770 1.531 0.022 303.25 -0.997
-83.5052 .000 -629188.8 .610 -1.43342 0.656 1.689 0.015 278 -0.627
-77.0994 .000 -579654.9 .569 -0.34368 0.651 0.64700001 0.014 265.625 -0.579
-77.6273 .000 -582394.6 .620 -0.86991 0.662 1.456 0.015 264.5 -0.644
-32.4687 .000 -534300.5 .850 -1.68834 0.738 1.6619999 0.015 260.5 -0.960
7.15161 .000 -721034.5 .607 -3.0497 0.669 1.202 0.013 305 -0.636
45.45504 .000 -714951 .606 -3.49129 0.652 1.641 0.015 316.125 -0.621
19.49974 .000 -719057.5 .638 -3.37795 0.664 1.408 0.015 319.5 -0.629
51.35976 .000 -665635.8 .638 -2.92778 0.666 1.408 0.014 302.25 -0.665
63.6957 .000 -663618.3 .632 -3.25603 0.643 1.614 0.017 313.75 -0.670
57.80432 .000 -712963.9 .616 -3.81954 0.656 1.847 0.014 327.875 -0.617
58.07841 .000 -619216 .594 -2.67772 0.638 1.175 0.015 288.625 -0.596
70.1901 .000 -710857.6 .643 -4.14779 0.682 2.053 0.012 339.375 -0.641

Coefficientsa
Standardiz
ed
Unstandardized Coefficient
11 Coefficients s
t Sig. Model B Std. Error Beta t
-.788 .444 1 (Constant) -4.344 5.196 -.836

2.741 .016 AM1_Eele .000 .000 .807 2.750


.941 .363 AM1_HF .003 .003 .390 .994

-1.330 .205 AM1_HOM -.627 .475 -.330 -1.321


O
3.988 .001 logP(o/w) .656 .176 .873 3.718
2.042 .060 logS .610 .293 1.447 2.079
1.769 .099 vol .015 .008 .559 1.961

12 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s

t Sig. Model B Std. Error Beta t


-.897 .385 1 (Constant) -4.000 4.916 -.814

2.947 .011 AM1_Eele .000 .000 .756 2.861


1.001 .334 AM1_HF .002 .003 .350 .894

-1.421 .177 AM1_HOM -.579 .445 -.313 -1.302


O
4.064 .001 logP(o/w) .651 .153 .901 4.265
2.167 .048 logS .569 .280 1.352 2.033
2.099 .054 vol .014 .007 .532 2.000

13 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
-.899 .384 1 (Constant) -4.496 5.357 -.839

3.137 .007 AM1_Eele .000 .000 .795 2.787


.840 .415 AM1_HF .003 .003 .421 .983

-1.404 .182 AM1_HOM -.644 .495 -.356 -1.301


O
3.771 .002 logP(o/w) .662 .178 .933 3.729
2.098 .054 logS .620 .308 1.526 2.010
2.305 .037 vol .015 .007 .560 2.005

Standardiz
14 Coefficientsa ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
-.855 .407 1 (Constant) -8.602 6.413 -1.341
2.754 .016 AM1_Eele .000 .000 .545 1.725
1.010 .330 AM1_HF .005 .004 .788 1.456
-1.374 .191 AM1_HOM -.960 .547 -.559 -1.754
O
4.010 .001 logP(o/w) .738 .172 1.083 4.282
2.134 .051 logS .850 .362 2.225 2.347
1.925 .075 vol .015 .007 .592 2.150

15 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
.633 .537 1 (Constant) -4.330 4.992 -.867

3.466 .004 AM1_Eele .000 .000 .732 2.344


-.328 .748 AM1_HF .003 .003 .424 1.079
.268 .793 AM1_HOM -.636 .450 -.333 -1.413
O
3.800 .002 logP(o/w) .669 .157 .925 4.252
.547 .593 logS .607 .282 1.437 2.155
1.390 .186 vol .013 .008 .492 1.532

16 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
-.703 .494 1 (Constant) -4.285 5.073 -.845

3.174 .007 AM1_Eele .000 .000 .794 2.789


.806 .434 AM1_HF .003 .003 .366 .976
-1.214 .245 AM1_HOM -.621 .458 -.313 -1.357
O
4.722 .000 logP(o/w) .652 .159 .852 4.088
2.037 .061 logS .606 .286 1.349 2.119
2.125 .052 vol .015 .008 .555 1.999
17 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s

t Sig. Model B Std. Error Beta t


-.768 .455 1 (Constant) -4.339 4.855 -.894

3.184 .007 AM1_Eele .000 .000 .792 3.053


.783 .447 AM1_HF .003 .003 .404 1.119
-1.444 .171 AM1_HOM -.629 .438 -.313 -1.436
O
3.796 .002 logP(o/w) .664 .151 .874 4.390
1.846 .086 logS .638 .275 1.421 2.316
1.957 .071 vol .015 .007 .556 2.170

18 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
-.899 .384 1 (Constant) -4.706 5.037 -.934

2.878 .012 AM1_Eele .000 .000 .766 2.768


.777 .450 AM1_HF .003 .003 .424 1.134

-1.394 .185 AM1_HOM -.665 .455 -.337 -1.461


O
4.129 .001 logP(o/w) .666 .157 .871 4.250
2.038 .061 logS .638 .286 1.442 2.227
2.059 .059 vol .014 .007 .538 1.986

Standardiz
19 Coefficientsa ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
-.793 .441 1 (Constant) -4.880 4.783 -1.020
3.223 .006 AM1_Eele .000 .000 .847 3.232
1.311 .211 AM1_HF .003 .003 .406 1.189
-1.392 .186 AM1_HOM -.670 .431 -.339 -1.556
O
4.045 .001 logP(o/w) .643 .148 .834 4.332
2.296 .038 logS .632 .269 1.409 2.344
2.205 .045 vol .017 .007 .621 2.397

20 Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
t Sig. Model B Std. Error Beta t
-2.021 .063 1 (Constant) -4.147 4.949 -.838

3.939 .001 AM1_Eele .000 .000 .772 2.924


1.621 .127 AM1_HF .003 .003 .368 1.036
-2.537 .024 AM1_HOM -.617 .446 -.308 -1.384
O
5.743 .000 logP(o/w) .656 .154 .839 4.265
3.422 .004 logS .616 .279 1.330 2.205
3.434 .004 vol .014 .007 .508 1.998
AM1_HOMO y topi y-ytopi
-9.08965 -1.3529906872 -0.1418593345
-9.08736 -0.9970841304 -0.1640667788
-9.11511 -0.8038065991 -0.2371520086
-9.12073 -0.8912530754 0.0342678756
-8.67771 -0.2310848955 -0.5842236737
-9.02431 -0.7933557949 0.3921463017
-8.52245 -0.7021177349 0.3243317578
-8.4561 -0.2921226563 0.0976235144
-9.09683 -0.5478359295 0.3620835253
-9.04856 0.5106521828 -0.6086492915
-9.2996 0.1867281416 -0.0060289403
-8.99109 0.1854516675 0.2281833297
-9.22136 0.5569703355 -0.0280536352
-9.18631 0.4092230432 0.3675507592
-9.47764 -1.0898408387 -0.1619711343
-9.45271 -0.820124703 0.0187817899
-9.49426 -0.9713621814 0.2523955486
-9.36223 -0.4217660989 -0.142071254
-9.3778 -0.2222650047 -0.3064432842
-9.46868 -0.6777780995 0.1909956996
-9.29107 -0.2412477551 -0.1344701491
-9.49084 -0.5548906767 0.2242075572

Coefficientsa
21 Unstandardized Coefficients
Sig. Model B Std. Error
.417 1 (Constant) -3.891 5.067

.016 AM1_Eele .000 .000


.337 AM1_HF .003 .003

.208 AM1_HOM -.596 .454


O
.002 logP(o/w) .638 .159
.056 logS .594 .284
.070 vol .015 .007

22 Coefficientsa

Unstandardized Coefficients

Sig. Model B Std. Error


.429 1 (Constant) -4.251 4.940

.013 AM1_Eele .000 .000


.387 AM1_HF .003 .003

.214 AM1_HOM -.641 .446


O
.001 logP(o/w) .682 .157
.061 logS .643 .282
.065 vol .012 .008

23

Sig.
.415

.015
.342

.214

.002
.064
.065

24

Sig.
.201
.106
.167
.101

.001
.034
.050

25

Sig.
.400

.034
.299
.180
.001
.049
.148

26

Sig.
.413

.014
.346
.196

.001
.052
.065
27

Sig.
.387

.009
.282
.173

.001
.036
.048

28

Sig.
.366

.015
.276

.166

.001
.043
.067

29

Sig.
.325
.006
.254
.142

.001
.034
.031

30

Sig.
.416

.011
.318
.188

.001
.045
.065
(y-y topi)2 y rata y-yrata (y-yrata)2
0.0201240708 -0.4447419689 -1.0501080528 1.1027269225
0.0269179079 -0.4447419689 -0.7164089404 0.5132417698
0.0562410752 -0.4447419689 -0.5962166388 0.3554742804
0.0011742873 -0.4447419689 -0.4122432309 0.1699444814
0.3413173009 -0.4447419689 -0.3705666003 0.1373196053
0.1537787219 -0.4447419689 0.0435324757 0.0018950764
0.1051910891 -0.4447419689 0.0669559919 0.0044831048
0.0095303506 -0.4447419689 0.2502428271 0.0626214725
0.1311044793 -0.4447419689 0.2589895646 0.0670755946
0.37045396 -0.4447419689 0.3467448602 0.1202319981
3.63481212175602E-05 -0.4447419689 0.6254411702 0.3911766574
0.052067632 -0.4447419689 0.8583769661 0.7368110159
0.0007870064 -0.4447419689 0.9736586692 0.948011204
0.1350935606 -0.4447419689 1.2215157713 1.4921007795
0.0262346483 -0.4447419689 -0.8070700041 0.6513619915
0.0003527556 -0.4447419689 -0.3566009442 0.1271642334
0.063703513 -0.4447419689 -0.2742246639 0.0751991663
0.0201842412 -0.4447419689 -0.1190953841 0.0141837105
0.0939074864 -0.4447419689 -0.08396632 0.0070503429
0.0364793573 -0.4447419689 -0.042040431 0.0017673978
0.018082221 -0.4447419689 0.0690240647 0.0047643215
0.0502690287 -0.4447419689 0.1140588495 0.0130094211
1.7130310417 6.9976145478

Coefficientsa
Standardized Coefficients
Beta t Sig.
-.768 .455

.792 2.961 .010


.374 1.039 .316

-.304 -1.313 .210

.839 4.025 .001


1.352 2.093 .055
.545 2.025 .062

Coefficientsa

Standardized Coefficients

Beta t Sig.
-.860 .404

.690 2.398 .031


.419 1.170 .261

-.318 -1.437 .173

.857 4.331 .001


1.357 2.279 .039
.404 1.508 .154
q2
0.7551978564

Coefficientsa 8d
Standardiz
ed
Unstandardized Coefficient
31 Coefficients s
Model B Std. Error Beta t Sig.
1 (Constant) -4.016 3.887 -1.033 .312

AM1_E .000 .000 .533 3.079 .005


AM1_HOM -.877 .394 -.469 -2.224 .036
O
ASA_H -.019 .010 -1.135 -2.001 .057

glob -3.635 1.815 -.539 -2.003 .057


logP(o/w) .592 .107 .920 5.544 .000
logS .317 .136 .752 2.320 .029
vol .035 .016 1.483 2.113 .045

32 Coefficientsa 10a

Standardiz
ed
Unstandardized Coefficient
Coefficients s

Model B Std. Error Beta t Sig.


1 (Constant) -5.887 4.174 -1.410 .171

AM1_E .000 .000 .635 3.347 .003


AM1_HOM -.973 .411 -.556 -2.371 .026
O
ASA_H -.015 .009 -.915 -1.676 .107

glob -3.457 1.764 -.522 -1.959 .062


logP(o/w) .601 .106 .937 5.674 .000
logS .389 .142 .935 2.734 .012
vol .033 .016 1.427 2.065 .050

33 Coefficientsa 10b

Standardiz
ed
Unstandardized Coefficient
Coefficients s
Model B Std. Error Beta t Sig.
1 (Constant) -3.599 3.998 -.900 .377

AM1_E .000 .000 .539 3.068 .005


AM1_HOM -.775 .395 -.442 -1.962 .061
O
ASA_H -.016 .009 -.996 -1.782 .087

glob -3.169 1.791 -.477 -1.769 .090


logP(o/w) .593 .108 .924 5.476 .000
logS .327 .138 .786 2.376 .026
vol .031 .016 1.345 1.922 .067
Coefficientsa

Standardiz
ed
Unstandardized Coefficient
Coefficients s
Model B Std. Error Beta t Sig.
1 (Constant) -4.317 4.885 -.884 .391

AM1_Eele .000 .000 .796 2.996 .009


AM1_HF .003 .003 .379 1.036 .317
AM1_HOM -.624 .440 -.320 -1.418 .177
O
logP(o/w) .654 .152 .860 4.303 .001
logS .608 .276 1.402 2.206 .043
vol .015 .007 .556 2.111 .052

senyawa constant AM1_Eele AM1_HF AM1_HOMO logP


S7 -4.317 .000 -693120 .003 -162.489 -.624 -9.10185 .654 -0.574
S8 -4.317 .000 -687083 .003 -124.935 -.624 -9.09618 .654 -0.135
S14 -4.317 .000 -700991 .003 7.1235 -.624 -8.42618 .654 1.324
S3 -4.317 .000 -635151 .003 -121.675 -.624 -9.28432 .654 1.25
S15 -4.317 .000 -720578 .003 77.80438 -.624 -9.02018 .654 1.387
S21 -4.317 .000 -709826 .003 69.62908 -.624 -9.42031 .654 2.053
S25 -4.317 .000 -712877 .003 57.83596 -.624 -9.47521 .654 1.847

pred LOGIC50
-1.40244 -1.20066 LOGIC50
-1.18601 -0.62342
-1.07887 -1.02228 0
-1.6 -1.4 -1.2 -1 -0.8 -0.6 -0.4 -0.2 0
-0.61846 -0.4034 -0.2
f(x) = 0.8030427032x + 0.0258586331
-0.53545 -0.43415 R² = 0.8275843544
-0.4
-0.50698 -0.49621 LOGIC50
-0.6
-0.17539 -0.05849 Axis Title Linear (LOGIC50)
-0.8
-1
-1.2
-1.4
Axis Title
logS vol pred LOGIC50
.608 -0.06129 .015 275.125 -1.40244 -1.20066 -0.20178 0.040715
.608 -0.50288 .015 285.25 -1.07887 -1.02228 -0.0566 0.003203
.608 -1.74354 .015 319.625 -0.53545 -0.43415 -0.1013 0.010261
.608 -0.99183 .015 266.375 -0.17539 -0.05849 -0.1169 0.013666
.608 -3.58567 .015 321.625 -1.18601 -0.62342 -0.56258 0.316502
.608 -4.14779 .015 339.375 -0.50698 -0.49621 -0.01077 0.000116
.608 -3.81954 .015 329.25 -0.61846 -0.4034 -0.21505 0.046248
0.430711
0.06153
0.248

LOGIC50
Linear (LOGIC50)
Senyawa Log MIC-Af konstanta logP (o/w) AM1_Eele vol logS
S10 -1.49485 0.000 0.000 -0.574 .000 -694334 0.011076 276.125 0.251843
S11 -1.16115 0.000 0.000 -0.135 .000 -688317 0.012722 289.875 0.259287
S12 -1.04096 0.000 0.000 0.071 .000 -686320 0.014392 300.5 0.263913
S9 -0.85699 0.000 0.000 0.071 .000 -685059 0.012577 298.25 0.260195
S26 -0.81531 0.000 0.000 1.325 .000 -693145 0.010222 299.75 0.292226
S6 -0.40121 0.000 0.000 -0.368 .000 -640149 0.012058 273 0.2652
S27 -0.37779 0.000 0.000 1.128 .000 -740643 0.010927 323.25 0.218168
S13 -0.1945 0.000 0.000 0.885 .000 -649745 0.012877 293.125 0.262083
S29 -0.18575 0.000 0.000 1.325 .000 -707595 0.014019 305.375 0.234619
S28 -0.098 0.000 0.000 1.531 .000 -653278 0.015997 303.25 0.30627
S4 0.180699 0.000 0.000 1.689 .000 -629189 0.01369 278 0.258756
S5 0.413635 0.000 0.000 0.647 .000 -579655 0.011916 265.625 0.254437
S2 0.528917 0.000 0.000 1.456 .000 -582395 0.013405 264.5 0.257545
S1 0.776774 0.000 0.000 1.662 .000 -534301 0.012725 260.5 0.260373
S23 -1.25181 0.000 0.000 1.202 .000 -721035 0.010797 305 0.245969
S24 -0.80134 0.000 0.000 1.641 .000 -714951 0.013025 316.125 0.263648
S18 -0.71897 0.000 0.000 1.408 .000 -719058 0.013314 319.5 0.276111
S22 -0.56384 0.000 0.000 1.408 .000 -665636 0.01258 302.25 0.255233
S17 -0.52871 0.000 0.000 1.614 .000 -663618 0.014567 313.75 0.25109
S19 -0.48678 0.000 0.000 1.847 .000 -712964 0.012275 327.875 0.2684
S16 -0.37572 0.000 0.000 1.175 .000 -619216 0.012929 288.625 0.247139
S20 -0.33068 0.000 0.000 2.053 .000 -710858 0.010643 339.375 0.263124
logS y topi (y-y topi)2 y rata (y-yrata)2
-0.06129 -1.32107 0.030199 -0.44474 1.102727
-0.50288 -1.01396 0.021664 -0.44474 0.513242
-0.83113 -0.81932 0.049125 -0.44474 0.355474
-0.83113 -0.88246 0.000649 -0.44474 0.169944
-1.18259 -0.29471 0.271022 -0.44474 0.13732
0.06063 -0.83616 0.189181 -0.44474 0.001895
-0.68809 -0.65936 0.079286 -0.44474 0.004483
-0.85178 -0.16576 0.000826 -0.44474 0.062621
-1.18259 -0.53463 0.121714 -0.44474 0.067076
-1.06067 0.298073 0.156871 -0.44474 0.120232
-1.43342 0.086356 0.008901 -0.44474 0.391177
-0.34368 0.153691 0.067571 -0.44474 0.736811
-0.86991 0.415682 0.012822 -0.44474 0.948011
-1.68834 0.778508 3.01E-06 -0.44474 1.492101
-3.0497 -1.10781 0.020735 -0.44474 0.651362
-3.49129 -0.8491 0.002281 -0.44474 0.127164
-3.37795 -0.96679 0.061419 -0.44474 0.075199
-2.92778 -0.47769 0.007422 -0.44474 0.014184
-3.25603 -0.2514 0.076898 -0.44474 0.00705
-3.81954 -0.68449 0.039089 -0.44474 0.001767
-2.67772 -0.20896 0.027807 -0.44474 0.004764
-4.14779 -0.52638 0.038297 -0.44474 0.013009